32 Lattice="8.58678451270696 0.0 0.0 0.0 8.58678451270696 0.0 0.0 0.0 8.58678451270696" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-158.80110974437196 pbc="F F F" Zr -0.00116774 -0.02004251 0.02998984 40 0.86257386 0.84388829 0.73916497 Zr 2.17660944 2.14906610 -0.01885279 40 -0.43349008 -0.25485766 -0.95556418 Zr 2.15385573 0.04165833 2.15784514 40 -0.35763225 -1.22930717 -0.33984509 Zr -0.02698925 2.09567325 2.15830470 40 -0.98706800 0.27248201 -0.43341496 Zr 4.27739928 -0.00013271 -0.01386410 40 0.18498715 0.20910313 0.38237443 Zr 6.44571691 2.12426442 0.02473993 40 -0.34079694 -0.04602549 0.22738167 Zr 6.48291476 -0.03583303 2.16676760 40 -0.50232932 0.45412519 -0.06291479 Zr 4.28752377 2.13781362 2.15607997 40 0.36116981 -0.25977452 -0.22572078 Zr 0.02826038 4.26023684 -0.02888993 40 0.28195562 0.10901039 0.45747415 Zr 2.16296046 6.44752745 0.02477215 40 -0.28396376 -0.17754107 0.12279667 Zr 2.12961728 4.26942104 2.17118091 40 -0.37805393 0.47375842 -0.30491520 Zr -0.01173300 6.48243120 2.12448229 40 0.41318183 -0.57694279 0.06329944 Zr 4.27206825 4.32632529 0.03253832 40 0.22265745 -0.15860402 -1.27060835 Zr 6.40311479 6.41031260 -0.02242248 40 -0.59396691 -0.65048845 0.67538079 Zr 6.40085037 4.27430514 2.13108113 40 1.30178357 0.27156007 -0.13511227 Zr 4.30318712 6.48141945 2.09087287 40 -0.00735971 1.01794888 0.13357731 Zr -0.00212290 0.06219302 4.32542892 40 0.04056925 -0.30958460 -0.10678394 Zr 2.10476959 2.18196749 4.31446385 40 0.44487253 -0.25374217 0.07800524 Zr 2.16104132 0.02488171 6.43650311 40 0.14264071 0.18431794 -0.13915743 Zr 0.01049147 2.14431594 6.40132554 40 -0.22054475 -0.02811392 0.36934356 Zr 4.26743626 -0.00198758 4.25853230 40 0.41981373 -0.94837475 0.47805124 Zr 6.44316740 2.13972741 4.31379078 40 1.10406061 -0.29416521 -0.09388569 Zr 6.42827506 0.03932415 6.45377095 40 -0.80096791 0.69653083 -0.81661656 Zr 4.33485040 2.18549732 6.42106352 40 -0.29792239 -0.42143613 1.04053537 Zr -0.00471580 4.31111502 4.34523204 40 -1.18683348 0.38187555 -0.41107979 Zr 2.15072624 6.47186891 4.27934125 40 -0.14783088 0.82160578 0.09094104 Zr 2.08562815 4.28716698 6.47562866 40 0.42255662 0.43501173 0.93138668 Zr 0.02279528 6.45176151 6.40153246 40 0.64646651 -0.56783695 -0.61611538 Zr 4.31217081 4.31580088 4.27548876 40 -0.27137079 0.10828077 0.26894715 Zr 6.37222692 6.46264026 4.25097877 40 0.10427109 -0.13432720 0.07655767 Zr 6.40852672 4.27394455 6.44956820 40 0.06661975 0.26647376 -0.18058493 Zr 4.31099941 6.44441537 6.40309149 40 -0.21004900 -0.23485066 -0.04289801